#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nef n TRP 57 N 0.00 0.00 0.00 0.00 4.27 -1.26 -3.62 117.44 116.83 2nef n TRP 57 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 2nef n TRP 57 Cb 0.00 -0.35 0.00 0.00 -1.36 0.00 0.00 31.31 29.60 2nef n TRP 57 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2nef n LEU 58 N -1.35 0.51 0.00 5.67 4.77 -1.26 -4.95 117.00 120.39 2nef n LEU 58 Ca 0.07 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.34 2nef n LEU 58 Cb 0.15 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 2nef n LEU 58 CO 0.14 -0.39 0.00 -0.62 -1.33 0.00 0.00 177.39 175.19 2nef n GLU 59 N -1.81 0.77 -0.91 3.23 -0.58 -1.24 -5.01 120.64 115.09 2nef n GLU 59 Ca 0.00 0.00 -0.20 0.00 -0.42 0.00 0.00 57.16 56.54 2nef n GLU 59 Cb 0.00 0.00 0.16 0.00 -0.57 0.00 0.00 31.44 31.03 2nef n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2nef n ALA 60 N -3.00 -1.80 -1.21 0.62 0.00 -1.26 -5.04 120.51 108.82 2nef n ALA 60 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.33 2nef n ALA 60 Cb 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 19.45 19.38 2nef n ALA 60 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2nef n GLN 61 N -3.40 0.00 0.00 0.00 6.02 -1.26 -4.43 117.38 114.31 2nef n GLN 61 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2nef n GLN 61 Cb 0.39 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.65 2nef n GLN 61 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2nef n GLU 62 N 0.00 0.00 0.17 -1.09 2.13 -1.26 -4.84 120.64 115.75 2nef n GLU 62 Ca 0.00 0.00 0.05 0.00 0.66 0.00 0.00 57.16 57.87 2nef n GLU 62 Cb 0.00 0.00 0.18 0.00 0.27 0.00 0.00 31.44 31.89 2nef n GLU 62 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 2nef h GLU 63 N 0.00 0.00 -4.74 5.31 3.07 -2.04 -3.41 114.58 112.77 2nef h GLU 63 Ca 0.00 0.00 -0.68 0.00 -0.50 0.00 0.00 59.36 58.18 2nef h GLU 63 Cb 0.00 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 27.67 2nef h GLU 63 CO 0.00 0.39 -0.56 -2.00 -1.40 0.00 0.00 179.01 175.43 2nef s GLU 64 N -3.23 3.15 -0.32 2.33 2.56 -1.26 -5.04 118.70 116.89 2nef s GLU 64 Ca 0.03 -0.84 -0.28 0.00 0.00 0.00 0.00 54.97 53.88 2nef s GLU 64 Cb 0.08 -3.56 -0.04 0.00 2.00 0.00 0.00 34.13 32.62 2nef s GLU 64 CO 0.71 -0.49 2.04 -1.21 -0.56 0.00 0.00 175.26 175.74 2nef s GLU 65 N 1.57 3.07 -0.01 4.30 2.02 -1.26 -4.81 118.70 123.57 2nef s GLU 65 Ca 0.03 1.61 -0.03 0.00 0.02 0.00 0.00 54.97 56.61 2nef s GLU 65 Cb -0.18 -4.32 -0.12 0.00 0.10 0.00 0.00 34.13 29.61 2nef s GLU 65 CO 0.05 -2.17 2.73 0.28 0.02 0.00 0.00 175.26 176.17 2nef n VAL 66 N 7.61 2.46 -2.07 2.63 0.31 -1.26 -4.23 118.33 123.77 2nef n VAL 66 Ca 0.27 -0.98 -0.28 0.00 -0.01 0.00 0.00 64.34 63.34 2nef n VAL 66 Cb 0.47 -1.72 0.02 0.00 -0.91 0.00 0.00 33.84 31.71 2nef n VAL 66 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2nef n GLY 67 N 1.92 6.14 3.84 2.92 0.00 -1.26 -5.04 105.19 113.70 2nef n GLY 67 Ca 0.20 -2.64 -0.33 0.00 0.00 0.00 0.00 46.02 43.25 2nef n GLY 67 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2nef s PHE 68 N -3.65 3.39 -0.85 1.61 -0.12 -1.26 -4.87 117.98 112.22 2nef s PHE 68 Ca 0.52 1.31 -0.24 0.00 -0.05 0.00 0.00 56.93 58.48 2nef s PHE 68 Cb 0.42 -2.61 -0.20 0.00 -0.63 0.00 0.00 43.02 40.00 2nef s PHE 68 CO -0.08 0.07 2.23 -2.30 -0.05 0.00 0.00 175.22 175.10 2nef n PRO 69 N -0.32 0.00 -2.67 1.99 -0.02 -1.26 -4.88 135.00 127.84 2nef n PRO 69 Ca 0.04 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.20 2nef n PRO 69 Cb 0.53 -1.22 -0.04 0.00 -0.02 0.00 0.00 33.50 32.75 2nef n PRO 69 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2nef s VAL 70 N 6.49 4.57 -0.46 -1.45 0.11 -1.26 -5.03 120.40 123.38 2nef s VAL 70 Ca 1.16 1.12 -0.10 0.00 -2.93 0.00 0.00 61.98 61.22 2nef s VAL 70 Cb -1.02 -3.68 0.10 0.00 -1.53 0.00 0.00 36.38 30.24 2nef s VAL 70 CO 0.43 -0.52 0.33 0.42 -3.33 0.00 0.00 175.10 172.43 2nef s THR 71 N -2.40 4.39 0.00 5.04 -4.23 -1.25 -5.09 115.64 112.09 2nef s THR 71 Ca 0.57 -1.55 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 2nef s THR 71 Cb -0.10 -3.78 0.00 0.00 1.34 0.00 0.00 72.50 69.96 2nef s THR 71 CO 0.26 -0.66 0.00 -2.65 -0.54 0.00 0.00 174.62 171.03 2nef n PRO 72 N 4.96 1.87 -1.52 3.99 -0.02 -1.25 -4.06 135.00 138.98 2nef n PRO 72 Ca -0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.06 2nef n PRO 72 Cb 0.42 0.00 -0.14 0.00 -0.02 0.00 0.00 33.50 33.76 2nef n PRO 72 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2nef n GLN 73 N 0.00 0.27 -2.92 -0.52 3.00 -1.26 -4.72 117.38 111.23 2nef n GLN 73 Ca 0.00 -0.10 -0.29 0.00 -0.01 0.00 0.00 57.00 56.60 2nef n GLN 73 Cb 0.00 -2.03 -0.02 0.00 0.00 0.00 0.00 30.24 28.19 2nef n GLN 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.06 177.20 2nef s VAL 74 N 8.13 4.88 -0.33 5.09 -7.23 -1.26 -4.93 120.40 124.74 2nef s VAL 74 Ca 1.22 0.37 -0.37 0.00 -1.81 0.00 0.00 61.98 61.40 2nef s VAL 74 Cb -0.81 -3.77 -0.16 0.00 0.56 0.00 0.00 36.38 32.20 2nef s VAL 74 CO 0.42 -0.56 1.21 -2.65 -0.31 0.00 0.00 175.10 173.21 2nef n PRO 75 N -1.46 0.00 -1.62 4.82 -0.02 -1.26 -4.67 135.00 130.79 2nef n PRO 75 Ca 0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.18 2nef n PRO 75 Cb 0.54 -1.20 -0.04 0.00 -0.02 0.00 0.00 33.50 32.78 2nef n PRO 75 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nef s LEU 76 N 1.99 3.28 0.44 2.45 1.43 -1.26 -4.93 118.68 122.07 2nef s LEU 76 Ca 0.82 0.75 -0.11 0.00 -1.03 0.00 0.00 54.13 54.57 2nef s LEU 76 Cb -1.17 -2.51 -0.06 0.00 0.03 0.00 0.00 46.19 42.47 2nef s LEU 76 CO 0.62 -3.05 0.81 -0.13 0.23 0.00 0.00 176.35 174.83 2nef s ARG 77 N 8.26 3.76 0.08 1.70 0.52 -1.26 -5.01 118.95 127.00 2nef s ARG 77 Ca 0.93 0.51 -0.31 0.00 -0.52 0.00 0.00 55.73 56.34 2nef s ARG 77 Cb -0.15 -2.34 -0.08 0.00 0.52 0.00 0.00 34.95 32.90 2nef s ARG 77 CO 0.21 -0.11 1.48 -1.25 0.02 0.00 0.00 175.30 175.65 2nef s PRO 78 N -4.05 4.26 -0.12 3.54 0.04 -1.26 -4.71 135.00 132.70 2nef s PRO 78 Ca 0.52 2.15 -0.29 0.00 0.04 0.00 0.00 61.00 63.42 2nef s PRO 78 Cb -0.10 -3.40 -0.05 0.00 0.04 0.00 0.00 34.50 30.99 2nef s PRO 78 CO 0.34 -0.57 1.68 1.41 0.04 0.00 0.00 177.00 179.90 2nef s MET 79 N 1.82 3.99 0.02 4.56 1.75 -1.26 -4.98 119.30 125.21 2nef s MET 79 Ca 0.67 2.01 -0.19 0.00 -1.25 0.00 0.00 55.69 56.93 2nef s MET 79 Cb -0.37 -4.03 -0.06 0.00 2.84 0.00 0.00 34.83 33.21 2nef s MET 79 CO 0.30 -1.07 0.55 0.95 -0.65 0.00 0.00 175.02 175.10 2nef s THR 80 N 4.67 4.87 0.32 10.11 -4.23 -1.26 -4.93 115.64 125.18 2nef s THR 80 Ca 0.74 1.16 0.07 0.00 -1.18 0.00 0.00 61.69 62.48 2nef s THR 80 Cb -0.31 -3.88 0.31 0.00 1.34 0.00 0.00 72.50 69.96 2nef s THR 80 CO 0.30 0.49 1.81 0.22 -0.54 0.00 0.00 174.62 176.89 2nef h TYR 81 N 5.13 1.01 -0.08 3.99 3.20 -2.01 2.57 116.97 130.77 2nef h TYR 81 Ca -0.48 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.42 2nef h TYR 81 Cb 1.21 -0.31 -0.00 0.00 1.54 0.00 0.00 36.73 39.16 2nef h TYR 81 CO 0.67 0.28 0.05 -0.22 -1.64 0.00 0.00 178.16 177.30 2nef h LYS 82 N 0.77 0.11 -0.15 1.82 3.64 -1.99 0.02 116.57 120.79 2nef h LYS 82 Ca 0.54 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.86 2nef h LYS 82 Cb 0.83 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.61 2nef h LYS 82 CO -0.32 0.08 -0.16 0.00 -2.27 0.00 0.00 179.45 176.78 2nef h ALA 83 N 1.94 1.45 0.31 5.00 0.00 0.41 -0.94 119.26 127.44 2nef h ALA 83 Ca 0.03 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 2nef h ALA 83 Cb -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2nef h ALA 83 CO -0.01 0.38 -0.15 0.00 0.00 0.00 0.00 179.25 179.48 2nef h ALA 84 N 1.61 -0.42 -0.45 0.00 0.00 -0.57 0.30 119.26 119.73 2nef h ALA 84 Ca 0.04 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2nef h ALA 84 Cb 0.43 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2nef h ALA 84 CO 0.03 -0.65 0.06 0.28 0.00 0.00 0.00 179.25 178.97 2nef h VAL 85 N -0.59 1.25 -0.34 0.00 2.07 -1.45 0.18 116.25 117.38 2nef h VAL 85 Ca -0.04 -0.92 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 2nef h VAL 85 Cb 0.43 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 2nef h VAL 85 CO 0.07 0.32 0.19 0.44 0.02 0.00 0.00 177.57 178.61 2nef h ASP 86 N 0.61 0.42 -0.74 0.57 5.19 -1.12 -2.44 116.42 118.91 2nef h ASP 86 Ca 0.14 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 2nef h ASP 86 Cb 0.40 -0.11 -0.04 0.00 0.18 0.00 0.00 39.33 39.76 2nef h ASP 86 CO 0.01 0.37 0.44 0.25 -3.12 0.00 0.00 179.24 177.19 2nef h LEU 87 N 0.43 0.90 -0.99 1.55 5.85 -0.18 -1.69 115.31 121.20 2nef h LEU 87 Ca 0.12 -0.07 0.16 0.00 0.84 0.00 0.00 57.88 58.93 2nef h LEU 87 Cb 0.04 -0.23 -0.10 0.00 0.37 0.00 0.00 40.66 40.74 2nef h LEU 87 CO -0.02 0.71 0.60 0.77 -0.34 0.00 0.00 178.44 180.16 2nef h SER 88 N 1.02 0.81 -0.02 1.25 4.64 -0.48 -1.49 113.55 119.27 2nef h SER 88 Ca 0.26 0.08 -0.25 0.00 -0.47 0.00 0.00 61.79 61.41 2nef h SER 88 Cb -0.01 -0.07 0.02 0.00 -0.31 0.00 0.00 62.40 62.02 2nef h SER 88 CO -0.05 0.34 -0.97 0.45 -0.87 0.00 0.00 176.83 175.73 2nef h HIS 89 N 0.83 1.03 0.03 4.77 3.86 -1.12 -2.69 115.15 121.86 2nef h HIS 89 Ca 0.54 -0.53 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 2nef h HIS 89 Cb 0.73 -0.13 -0.04 0.00 1.06 0.00 0.00 27.41 29.03 2nef h HIS 89 CO -0.01 1.37 -0.22 0.35 0.86 0.00 0.00 177.93 180.27 2nef h PHE 90 N 0.43 -0.58 -0.08 2.45 3.57 -0.40 -0.11 116.94 122.20 2nef h PHE 90 Ca -0.11 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.40 2nef h PHE 90 Cb 1.62 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 40.61 2nef h PHE 90 CO 0.10 -0.31 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.78 2nef h LEU 91 N -0.37 0.10 -0.55 0.59 3.38 -1.48 -2.25 115.31 114.73 2nef h LEU 91 Ca 0.05 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 2nef h LEU 91 Cb 0.43 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2nef h LEU 91 CO -0.18 0.14 0.10 0.50 0.09 0.00 0.00 178.44 179.09 2nef h LYS 92 N 0.12 0.91 0.00 1.13 3.11 -0.71 0.42 116.57 121.54 2nef h LYS 92 Ca 0.03 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 2nef h LYS 92 Cb 0.11 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2nef h LYS 92 CO 0.00 0.87 0.00 0.39 -2.81 0.00 0.00 179.45 177.90 2nef n GLU 93 N -4.36 0.00 -0.04 1.90 1.02 -0.48 -4.46 120.64 114.22 2nef n GLU 93 Ca 0.02 0.38 -0.15 0.00 -0.02 0.00 0.00 57.16 57.39 2nef n GLU 93 Cb 0.26 -1.14 -0.13 0.00 -0.02 0.00 0.00 31.44 30.41 2nef n GLU 93 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2nef h LYS 94 N 0.00 0.09 -7.19 3.49 1.57 -1.60 -3.46 116.57 109.47 2nef h LYS 94 Ca 0.00 -0.12 -0.52 0.00 -1.87 0.00 0.00 60.65 58.13 2nef h LYS 94 Cb 0.00 0.04 0.14 0.00 0.08 0.00 0.00 32.23 32.49 2nef h LYS 94 CO 0.00 0.99 0.38 0.20 -0.57 0.00 0.00 179.45 180.45 2nef s GLY 95 N -4.13 2.26 -0.41 3.86 0.00 0.15 -4.79 107.32 104.25 2nef s GLY 95 Ca -0.17 0.74 0.09 0.00 0.00 0.00 0.00 44.72 45.38 2nef s GLY 95 CO 0.72 1.13 1.04 0.61 0.00 0.00 0.00 173.10 176.60 2nef n GLY 96 N 0.03 4.53 0.08 0.20 0.00 -1.24 -4.20 105.19 104.58 2nef n GLY 96 Ca 0.12 -2.28 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 2nef n GLY 96 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2nef h LEU 97 N 2.75 0.20 -9.41 0.99 5.85 -1.93 -3.41 115.31 110.35 2nef h LEU 97 Ca 0.16 -0.22 -0.61 0.00 0.84 0.00 0.00 57.88 58.06 2nef h LEU 97 Cb 0.98 -0.07 0.13 0.00 0.37 0.00 0.00 40.66 42.07 2nef h LEU 97 CO 0.73 1.17 -0.17 1.21 -0.34 0.00 0.00 178.44 181.04 2nef n GLU 98 N -3.44 0.87 -0.40 1.25 2.13 -1.26 0.24 120.64 120.02 2nef n GLU 98 Ca -0.04 0.31 0.00 0.00 0.66 0.00 0.00 57.16 58.09 2nef n GLU 98 Cb 0.98 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 31.03 2nef n GLU 98 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2nef n GLY 99 N 1.54 0.00 3.67 8.31 0.00 0.57 -4.86 105.19 114.42 2nef n GLY 99 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 2nef n GLY 99 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2nef s LEU 100 N 0.00 4.20 -0.28 0.99 2.96 0.14 -4.61 118.68 122.07 2nef s LEU 100 Ca 0.00 1.69 -0.28 0.00 -0.22 0.00 0.00 54.13 55.32 2nef s LEU 100 Cb 0.00 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 43.12 2nef s LEU 100 CO 0.00 -0.70 1.94 -0.63 -1.32 0.00 0.00 176.35 175.63 2nef s ILE 101 N 3.12 3.32 -0.54 6.68 -1.09 -1.26 -2.17 121.20 129.27 2nef s ILE 101 Ca 0.54 0.33 -0.27 0.00 -2.23 0.00 0.00 60.65 59.02 2nef s ILE 101 Cb -0.22 -3.43 -0.04 0.00 -1.58 0.00 0.00 42.46 37.20 2nef s ILE 101 CO 0.16 -0.27 2.03 -2.28 -1.23 0.00 0.00 174.94 173.35 2nef s HIS 102 N 7.27 1.49 0.00 3.97 5.65 0.90 -4.88 115.29 129.69 2nef s HIS 102 Ca 0.87 1.00 0.00 0.00 0.25 0.00 0.00 55.06 57.17 2nef s HIS 102 Cb -0.26 -3.94 0.00 0.00 -1.18 0.00 0.00 32.58 27.20 2nef s HIS 102 CO 0.34 -2.49 0.07 -1.13 -0.65 0.00 0.00 174.74 170.88 2nef n SER 103 N 13.41 0.00 0.00 9.88 3.41 -1.26 -3.28 113.62 135.77 2nef n SER 103 Ca 0.26 0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2nef n SER 103 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2nef n SER 103 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2nef n GLN 104 N -0.11 0.00 0.00 4.33 7.27 -1.26 -4.39 117.38 123.23 2nef n GLN 104 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2nef n GLN 104 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2nef n GLN 104 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 2nef n ARG 105 N 0.00 4.80 0.16 3.69 1.74 -1.26 -4.81 116.66 120.98 2nef n ARG 105 Ca 0.00 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.26 2nef n ARG 105 Cb 0.34 -0.45 0.79 0.00 -1.02 0.00 0.00 32.46 32.11 2nef n ARG 105 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2nef h ARG 106 N 0.00 0.00 -0.03 5.56 3.08 -1.94 -1.45 114.38 119.60 2nef h ARG 106 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2nef h ARG 106 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 2nef h ARG 106 CO 0.00 0.00 0.01 0.37 -1.07 0.00 0.00 179.97 179.28 2nef h GLN 107 N 0.00 0.05 -0.15 0.04 4.15 -1.97 -2.92 115.11 114.31 2nef h GLN 107 Ca 0.13 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.56 2nef h GLN 107 Cb 0.72 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 2nef h GLN 107 CO -0.00 0.28 -0.00 -0.44 -1.93 0.00 0.00 178.83 176.74 2nef h ASP 108 N -0.19 -0.06 -0.88 -0.69 3.32 -1.61 -1.42 116.42 114.88 2nef h ASP 108 Ca 0.01 0.03 0.22 0.00 0.02 0.00 0.00 57.03 57.31 2nef h ASP 108 Cb 0.26 0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 2nef h ASP 108 CO 0.00 -0.01 0.60 0.40 -1.72 0.00 0.00 179.24 178.51 2nef h ILE 109 N 0.05 0.64 0.26 0.35 2.04 -1.50 -1.10 117.51 118.23 2nef h ILE 109 Ca 0.07 -0.08 -0.01 0.00 1.00 0.00 0.00 64.86 65.83 2nef h ILE 109 Cb 0.09 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 2nef h ILE 109 CO -0.12 0.04 -0.12 0.25 0.00 0.00 0.00 178.15 178.20 2nef h LEU 110 N 0.24 -0.29 -0.87 1.44 5.85 -1.06 0.02 115.31 120.63 2nef h LEU 110 Ca 0.44 0.01 0.18 0.00 0.84 0.00 0.00 57.88 59.35 2nef h LEU 110 Cb 1.34 0.08 -0.11 0.00 0.37 0.00 0.00 40.66 42.34 2nef h LEU 110 CO -0.11 -0.16 0.43 0.44 -0.34 0.00 0.00 178.44 178.70 2nef h ASP 111 N -0.44 0.47 -0.05 1.25 3.32 -1.30 -1.52 116.42 118.14 2nef h ASP 111 Ca -0.04 0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 2nef h ASP 111 Cb 0.26 0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2nef h ASP 111 CO 0.06 0.14 0.01 0.25 -1.72 0.00 0.00 179.24 177.98 2nef h LEU 112 N 0.55 0.07 -0.73 1.55 6.46 -1.23 -2.78 115.31 119.20 2nef h LEU 112 Ca 0.50 -0.24 0.16 0.00 -0.12 0.00 0.00 57.88 58.18 2nef h LEU 112 Cb 0.82 -0.02 -0.11 0.00 -0.73 0.00 0.00 40.66 40.61 2nef h LEU 112 CO -0.42 0.30 0.14 -0.25 -0.62 0.00 0.00 178.44 177.59 2nef h TRP 113 N -0.16 0.21 -0.43 1.25 7.01 0.03 0.51 115.95 124.37 2nef h TRP 113 Ca 0.01 0.04 0.02 0.00 2.11 0.00 0.00 58.89 61.08 2nef h TRP 113 Cb 0.26 0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 27.31 2nef h TRP 113 CO 0.01 -0.11 0.29 0.82 -2.79 0.00 0.00 178.44 176.65 2nef h ILE 114 N 0.23 1.07 0.52 2.65 2.04 -1.25 -2.76 117.51 120.00 2nef h ILE 114 Ca 0.41 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 66.06 2nef h ILE 114 Cb 0.70 0.50 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2nef h ILE 114 CO -0.53 0.10 -0.25 0.22 0.00 0.00 0.00 178.15 177.69 2nef h TYR 115 N 0.52 -0.64 0.00 1.37 3.20 0.27 -2.31 116.97 119.39 2nef h TYR 115 Ca 0.17 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 2nef h TYR 115 Cb 0.04 0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.52 2nef h TYR 115 CO -0.00 -0.33 0.00 0.72 -1.64 0.00 0.00 178.16 176.91 2nef n HIS 116 N -5.31 0.00 0.00 -3.82 8.25 -0.96 -1.88 115.22 111.50 2nef n HIS 116 Ca -0.11 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.35 2nef n HIS 116 Cb 0.32 -0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.15 2nef n HIS 116 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2nef n THR 117 N -1.28 0.00 1.29 1.59 -2.24 -0.90 -3.84 114.28 108.91 2nef n THR 117 Ca 0.01 0.00 0.14 0.00 -2.27 0.00 0.00 64.05 61.94 2nef n THR 117 Cb 0.02 -0.15 0.70 0.00 -2.10 0.00 0.00 70.33 68.80 2nef n THR 117 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 2nef n GLN 118 N 0.00 0.31 -3.13 -0.78 0.00 -1.10 -4.62 117.38 108.07 2nef n GLN 118 Ca 0.00 -0.02 -0.14 0.00 -0.00 0.00 0.00 57.00 56.84 2nef n GLN 118 Cb 0.00 -1.50 0.05 0.00 0.00 0.00 0.00 30.24 28.79 2nef n GLN 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2nef n GLY 119 N 1.35 0.03 3.71 1.69 0.00 -0.79 -4.60 105.19 106.58 2nef n GLY 119 Ca 0.12 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2nef n GLY 119 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2nef s TYR 120 N -3.17 3.30 0.24 1.61 2.02 -1.25 -4.53 117.35 115.56 2nef s TYR 120 Ca 0.34 1.16 -0.30 0.00 -0.37 0.00 0.00 57.07 57.90 2nef s TYR 120 Cb -0.15 -3.51 -0.09 0.00 -0.40 0.00 0.00 41.96 37.81 2nef s TYR 120 CO 0.42 -1.66 1.28 0.12 -1.57 0.00 0.00 175.55 174.14 2nef s PHE 121 N 1.37 3.26 -0.71 2.71 5.36 -1.26 -4.63 117.98 124.09 2nef s PHE 121 Ca 0.60 1.33 -0.26 0.00 -0.96 0.00 0.00 56.93 57.64 2nef s PHE 121 Cb -0.31 -3.57 0.00 0.00 -0.34 0.00 0.00 43.02 38.81 2nef s PHE 121 CO 0.28 -1.67 1.62 -1.25 -1.46 0.00 0.00 175.22 172.74 2nef s PRO 122 N -0.64 2.89 0.00 10.12 0.04 -1.26 -4.56 135.00 141.60 2nef s PRO 122 Ca 0.53 0.11 0.02 0.00 0.04 0.00 0.00 61.00 61.71 2nef s PRO 122 Cb -0.36 -4.41 0.04 0.00 0.04 0.00 0.00 34.50 29.80 2nef s PRO 122 CO 0.42 -2.52 0.76 -0.40 0.04 0.00 0.00 177.00 175.29 2nef n ASP 123 N 11.31 -0.11 0.00 6.66 5.68 -1.26 -4.88 116.55 133.96 2nef n ASP 123 Ca 0.16 -1.49 0.00 0.00 -0.50 0.00 0.00 54.79 52.95 2nef n ASP 123 Cb 0.50 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 2nef n ASP 123 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 2nef n TRP 124 N 0.04 0.00 -1.37 2.11 4.27 -1.26 -4.90 117.44 116.33 2nef n TRP 124 Ca -0.05 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.16 2nef n TRP 124 Cb 0.64 0.00 -0.02 0.00 -1.36 0.00 0.00 31.31 30.56 2nef n TRP 124 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 2nef n GLN 125 N -0.50 2.44 -4.18 -2.67 -0.00 -1.26 -4.67 117.38 106.53 2nef n GLN 125 Ca 0.00 -2.16 -0.24 0.00 -0.00 0.00 0.00 57.00 54.60 2nef n GLN 125 Cb 0.01 -3.00 -0.07 0.00 -0.00 0.00 0.00 30.24 27.17 2nef n GLN 125 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.06 176.26 2nef s ASN 126 N 3.67 4.44 0.26 2.61 0.02 -1.26 -5.10 114.94 119.58 2nef s ASN 126 Ca 0.53 -0.94 -0.22 0.00 -1.02 0.00 0.00 52.86 51.21 2nef s ASN 126 Cb 0.14 -0.58 0.03 0.00 0.02 0.00 0.00 41.25 40.86 2nef s ASN 126 CO -0.01 -0.36 0.74 -0.31 0.02 0.00 0.00 177.10 177.17 2nef s TYR 127 N -2.51 -0.20 0.56 2.20 1.51 -1.26 -3.14 117.35 114.50 2nef s TYR 127 Ca 0.38 -0.23 -0.20 0.00 -1.01 0.00 0.00 57.07 56.01 2nef s TYR 127 Cb 0.00 0.70 -0.05 0.00 -0.11 0.00 0.00 41.96 42.50 2nef s TYR 127 CO 0.22 -1.18 1.22 0.95 -1.11 0.00 0.00 175.55 175.65 2nef s THR 128 N -3.85 2.65 0.03 -0.71 -4.23 -1.08 -4.79 115.64 103.65 2nef s THR 128 Ca 0.11 0.43 -0.00 0.00 -1.18 0.00 0.00 61.69 61.04 2nef s THR 128 Cb -0.05 -3.19 0.01 0.00 1.34 0.00 0.00 72.50 70.60 2nef s THR 128 CO 0.06 -0.06 0.03 -0.81 -0.54 0.00 0.00 174.62 173.30 2nef n PRO 129 N -1.28 -0.33 -1.34 3.99 -0.04 -1.26 -4.85 135.00 129.89 2nef n PRO 129 Ca 0.12 -0.05 0.16 0.00 -0.04 0.00 0.00 63.50 63.69 2nef n PRO 129 Cb 0.49 -0.03 -0.08 0.00 -0.04 0.00 0.00 33.50 33.83 2nef n PRO 129 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 130 N 4.07 -2.75 0.00 0.55 0.00 -1.26 -4.92 105.19 100.88 2nef n GLY 130 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2nef n GLY 130 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2nef n PRO 131 N -4.16 0.58 0.00 1.61 -0.04 -1.26 -4.98 135.00 126.75 2nef n PRO 131 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 2nef n PRO 131 Cb 0.62 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.08 2nef n PRO 131 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2nef n GLY 132 N 3.62 -2.25 3.63 0.55 0.00 -1.26 -4.83 105.19 104.65 2nef n GLY 132 Ca 0.00 -1.89 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 2nef n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2nef s ILE 133 N -0.23 3.06 -0.52 -0.61 1.09 -1.26 -4.88 121.20 117.85 2nef s ILE 133 Ca 0.00 0.07 -0.28 0.00 -1.10 0.00 0.00 60.65 59.34 2nef s ILE 133 Cb 0.00 -3.07 0.01 0.00 -1.06 0.00 0.00 42.46 38.35 2nef s ILE 133 CO 0.00 -0.03 1.38 -0.13 -0.10 0.00 0.00 174.94 176.06 2nef s ARG 134 N 5.44 3.41 0.15 2.79 1.81 -1.14 -4.95 118.95 126.46 2nef s ARG 134 Ca 0.93 0.56 -0.15 0.00 -1.72 0.00 0.00 55.73 55.35 2nef s ARG 134 Cb -0.36 -4.08 -0.07 0.00 -0.45 0.00 0.00 34.95 29.99 2nef s ARG 134 CO 0.37 -1.80 0.57 0.71 -0.68 0.00 0.00 175.30 174.47 2nef s TYR 135 N 5.73 3.63 -0.05 -0.53 2.02 -1.26 -3.39 117.35 123.50 2nef s TYR 135 Ca 0.53 1.11 -0.30 0.00 -0.37 0.00 0.00 57.07 58.05 2nef s TYR 135 Cb -0.11 -2.41 -0.03 0.00 -0.40 0.00 0.00 41.96 39.02 2nef s TYR 135 CO 0.27 0.43 1.12 -1.25 -1.57 0.00 0.00 175.55 174.55 2nef s PRO 136 N -1.89 4.41 0.32 -1.71 0.04 -1.26 -2.65 135.00 132.25 2nef s PRO 136 Ca 0.38 1.57 0.00 0.00 0.04 0.00 0.00 61.00 62.99 2nef s PRO 136 Cb -0.15 -3.51 0.52 0.00 0.04 0.00 0.00 34.50 31.39 2nef s PRO 136 CO 0.19 -0.34 1.93 -0.07 0.04 0.00 0.00 177.00 178.75 2nef h LEU 137 N 7.79 0.76-10.33 -3.56 3.38 -1.85 -3.42 115.31 108.08 2nef h LEU 137 Ca -0.35 -0.07 -0.46 0.00 0.09 0.00 0.00 57.88 57.09 2nef h LEU 137 Cb 1.17 -0.19 0.16 0.00 0.09 0.00 0.00 40.66 41.89 2nef h LEU 137 CO 0.85 0.64 0.20 0.42 0.09 0.00 0.00 178.44 180.64 2nef s THR 138 N -5.51 2.31 -0.08 0.22 -4.23 -1.26 -4.92 115.64 102.16 2nef s THR 138 Ca -0.10 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.42 2nef s THR 138 Cb 0.17 -2.55 -0.03 0.00 1.34 0.00 0.00 72.50 71.43 2nef s THR 138 CO 0.78 -0.13 -0.17 0.33 -0.54 0.00 0.00 174.62 174.89 2nef n PHE 139 N -4.12 0.00 0.23 3.99 -0.00 -1.26 -4.56 117.46 111.74 2nef n PHE 139 Ca 0.06 0.00 0.15 0.00 -0.00 0.00 0.00 57.45 57.66 2nef n PHE 139 Cb 0.56 -0.24 0.61 0.00 -0.00 0.00 0.00 39.48 40.41 2nef n PHE 139 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 2nef h GLY 140 N -0.48 0.00 -7.39 7.13 0.00 -1.86 -3.38 103.07 97.08 2nef h GLY 140 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.80 2nef h GLY 140 CO 0.00 0.00 1.16 0.86 0.00 0.00 0.00 176.54 178.56 2nef s TRP 141 N -4.23 2.08 -0.97 5.60 -0.00 -1.26 -3.50 118.94 116.67 2nef s TRP 141 Ca -0.03 0.20 -0.07 0.00 -0.00 0.00 0.00 56.10 56.21 2nef s TRP 141 Cb 0.09 -4.45 -0.07 0.00 -0.00 0.00 0.00 33.47 29.04 2nef s TRP 141 CO 0.30 -2.15 2.98 0.00 -0.00 0.00 0.00 176.95 178.09 2nef s TYR 143 N 0.56 2.73 -0.24 0.00 1.13 -1.26 -2.29 117.35 117.98 2nef s TYR 143 Ca 0.64 -0.47 -0.02 0.00 -1.41 0.00 0.00 57.07 55.81 2nef s TYR 143 Cb 0.25 -1.73 0.08 0.00 -1.10 0.00 0.00 41.96 39.45 2nef s TYR 143 CO -0.08 -0.06 0.07 0.21 -2.51 0.00 0.00 175.55 173.18 2nef s LYS 144 N -0.13 0.59 0.23 -3.49 2.20 -1.13 -4.44 119.74 113.57 2nef s LYS 144 Ca -0.02 -0.61 -0.30 0.00 -0.36 0.00 0.00 55.97 54.69 2nef s LYS 144 Cb -0.14 -1.95 -0.09 0.00 -1.51 0.00 0.00 37.83 34.15 2nef s LYS 144 CO 0.04 -0.79 1.01 -0.51 -0.36 0.00 0.00 175.35 174.74 2nef s LEU 145 N 1.83 4.58 -0.19 5.43 1.43 -1.22 -1.76 118.68 128.78 2nef s LEU 145 Ca 0.03 2.04 -0.10 0.00 -1.03 0.00 0.00 54.13 55.07 2nef s LEU 145 Cb -0.17 -3.61 0.07 0.00 0.03 0.00 0.00 46.19 42.51 2nef s LEU 145 CO -0.17 -0.00 0.46 -0.69 0.23 0.00 0.00 176.35 176.18 2nef s VAL 146 N -0.90 -0.11 -0.75 -1.59 1.01 -1.15 -2.90 120.40 114.01 2nef s VAL 146 Ca 0.44 0.09 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 2nef s VAL 146 Cb -0.28 -0.68 0.06 0.00 0.00 0.00 0.00 36.38 35.48 2nef s VAL 146 CO 0.35 0.04 1.12 -2.16 0.00 0.00 0.00 175.10 174.44 2nef s PRO 147 N 1.60 3.24 -0.07 2.72 0.04 -1.26 -3.04 135.00 138.23 2nef s PRO 147 Ca -0.09 -0.80 -0.22 0.00 0.04 0.00 0.00 61.00 59.93 2nef s PRO 147 Cb -0.08 -4.40 -0.04 0.00 0.04 0.00 0.00 34.50 30.01 2nef s PRO 147 CO -0.14 -1.95 0.66 0.08 0.04 0.00 0.00 177.00 175.70 2nef s VAL 148 N 4.48 5.06 0.48 -0.36 1.01 -1.26 -5.04 120.40 124.76 2nef s VAL 148 Ca 0.29 1.36 -0.22 0.00 0.00 0.00 0.00 61.98 63.42 2nef s VAL 148 Cb -0.11 -4.00 -0.07 0.00 0.00 0.00 0.00 36.38 32.19 2nef s VAL 148 CO 0.07 0.27 1.12 -1.61 0.00 0.00 0.00 175.10 174.95 2nef s GLU 149 N 0.70 3.70 -0.01 2.72 2.02 -1.26 -4.90 118.70 121.67 2nef s GLU 149 Ca 0.35 1.62 0.00 0.00 0.02 0.00 0.00 54.97 56.97 2nef s GLU 149 Cb -0.17 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 31.82 2nef s GLU 149 CO 0.17 -0.56 0.98 -0.35 0.02 0.00 0.00 175.26 175.52 2nef n PRO 150 N -0.75 1.05 -0.20 0.39 -0.04 -1.26 -4.35 135.00 129.85 2nef n PRO 150 Ca 0.09 -0.10 -0.06 0.00 -0.04 0.00 0.00 63.50 63.38 2nef n PRO 150 Cb 0.50 -1.09 0.03 0.00 -0.04 0.00 0.00 33.50 32.89 2nef n PRO 150 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 2nef h GLU 151 N 0.05 0.75 -0.00 0.54 4.11 -1.90 -1.47 114.58 116.65 2nef h GLU 151 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2nef h GLU 151 Cb 1.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2nef h GLU 151 CO 0.04 0.51 -0.13 0.36 0.07 0.00 0.00 179.01 179.86 2nef n LYS 152 N -4.68 0.38 0.00 1.06 2.85 -1.26 -4.46 118.16 112.06 2nef n LYS 152 Ca 0.04 -0.11 0.00 0.00 -1.05 0.00 0.00 58.31 57.19 2nef n LYS 152 Cb 0.03 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.91 2nef n LYS 152 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2nef n LEU 153 N -1.21 0.00 -3.68 -5.58 4.32 -0.58 -5.10 117.00 105.17 2nef n LEU 153 Ca 0.11 0.00 -0.08 0.00 -0.02 0.00 0.00 56.01 56.02 2nef n LEU 153 Cb 0.30 0.00 -0.02 0.00 -1.62 0.00 0.00 43.42 42.08 2nef n LEU 153 CO 0.26 0.00 0.53 -0.70 -1.22 0.00 0.00 177.39 176.26 2nef s GLU 154 N 0.02 1.42 0.38 3.23 2.12 -1.02 -5.14 118.70 119.71 2nef s GLU 154 Ca 0.00 -0.70 -0.26 0.00 0.36 0.00 0.00 54.97 54.37 2nef s GLU 154 Cb 0.00 0.54 -0.09 0.00 0.26 0.00 0.00 34.13 34.84 2nef s GLU 154 CO 0.00 -0.64 1.13 -1.21 -0.54 0.00 0.00 175.26 174.00 2nef s GLU 155 N -3.66 4.18 -0.28 4.30 0.41 -1.26 -4.76 118.70 117.63 2nef s GLU 155 Ca 0.08 1.77 -0.21 0.00 -0.41 0.00 0.00 54.97 56.19 2nef s GLU 155 Cb -0.03 -2.74 0.11 0.00 -1.78 0.00 0.00 34.13 29.69 2nef s GLU 155 CO -0.01 -0.19 0.89 0.00 -0.49 0.00 0.00 175.26 175.46 2nef s ALA 156 N -1.42 -1.99 0.60 5.21 0.00 -1.26 -5.16 121.76 117.74 2nef s ALA 156 Ca 0.55 2.10 -0.14 0.00 0.00 0.00 0.00 51.96 54.47 2nef s ALA 156 Cb -0.29 -1.45 -0.04 0.00 0.00 0.00 0.00 23.12 21.34 2nef s ALA 156 CO 0.37 -0.31 1.03 0.54 0.00 0.00 0.00 175.76 177.39 2nef s ASN 157 N 0.81 6.00 -0.25 0.00 6.03 -1.26 -5.03 114.94 121.23 2nef s ASN 157 Ca -0.03 1.63 -0.09 0.00 -1.03 0.00 0.00 52.86 53.35 2nef s ASN 157 Cb -0.05 -2.51 -0.04 0.00 -3.03 0.00 0.00 41.25 35.63 2nef s ASN 157 CO -0.10 -1.02 0.11 -0.75 -2.03 0.00 0.00 177.10 173.32 2nef s LYS 158 N -4.50 3.83 0.25 3.55 2.20 -1.26 -4.88 119.74 118.94 2nef s LYS 158 Ca 0.59 -0.39 0.00 0.00 -0.36 0.00 0.00 55.97 55.82 2nef s LYS 158 Cb -0.13 -3.43 0.00 0.00 -1.51 0.00 0.00 37.83 32.76 2nef s LYS 158 CO 0.43 -0.09 0.00 -3.47 -0.36 0.00 0.00 175.35 171.86 2nef n ASP 174 N 4.69 -1.33 0.00 1.43 2.03 -1.26 -4.96 116.55 117.15 2nef n ASP 174 Ca -0.15 0.45 -0.21 0.00 0.52 0.00 0.00 54.79 55.40 2nef n ASP 174 Cb 0.52 1.40 -0.14 0.00 -0.72 0.00 0.00 41.12 42.18 2nef n ASP 174 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 2nef h ASP 175 N 0.00 0.35 0.00 1.67 3.58 -2.04 -3.36 116.42 116.61 2nef h ASP 175 Ca 0.00 -0.85 0.00 0.00 0.42 0.00 0.00 57.03 56.60 2nef h ASP 175 Cb 0.00 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 40.94 2nef h ASP 175 CO 0.00 1.55 0.00 -2.65 -2.88 0.00 0.00 179.24 175.26 2nef n PRO 176 N -4.02 0.13 0.03 0.28 -0.02 -1.26 -3.99 135.00 126.14 2nef n PRO 176 Ca -0.23 0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.39 2nef n PRO 176 Cb 0.85 -1.44 0.55 0.00 -0.02 0.00 0.00 33.50 33.45 2nef n PRO 176 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 2nef n GLU 177 N 1.91 0.07 -1.65 -0.52 0.28 -1.26 -4.80 120.64 114.67 2nef n GLU 177 Ca 0.00 0.05 -0.28 0.00 -0.16 0.00 0.00 57.16 56.77 2nef n GLU 177 Cb 0.06 -1.58 0.20 0.00 1.43 0.00 0.00 31.44 31.56 2nef n GLU 177 CO 0.00 0.00 0.00 2.89 -0.16 0.00 0.00 177.13 179.86 2nef n ARG 178 N -1.70 -1.58 -2.30 3.44 1.85 -1.26 -4.91 116.66 110.20 2nef n ARG 178 Ca 0.07 -1.90 -0.39 0.00 -1.00 0.00 0.00 57.85 54.63 2nef n ARG 178 Cb 0.36 -1.35 -0.03 0.00 -1.05 0.00 0.00 32.46 30.39 2nef n ARG 178 CO 0.00 0.00 0.00 -1.21 -0.01 0.00 0.00 177.63 176.41 2nef s GLU 179 N -5.69 2.94 -0.98 2.89 0.41 -1.26 -4.92 118.70 112.10 2nef s GLU 179 Ca 0.71 0.01 -0.16 0.00 -0.41 0.00 0.00 54.97 55.12 2nef s GLU 179 Cb -0.03 -4.45 0.17 0.00 -1.78 0.00 0.00 34.13 28.04 2nef s GLU 179 CO 0.51 -2.50 1.11 0.08 -0.49 0.00 0.00 175.26 173.97 2nef s VAL 180 N 7.40 5.08 -0.05 2.63 1.01 -1.26 -4.52 120.40 130.70 2nef s VAL 180 Ca 0.52 -2.14 0.05 0.00 0.00 0.00 0.00 61.98 60.41 2nef s VAL 180 Cb -0.09 -4.73 -0.02 0.00 0.00 0.00 0.00 36.38 31.54 2nef s VAL 180 CO 0.14 -1.40 -0.18 -0.76 0.00 0.00 0.00 175.10 172.89 2nef s LEU 181 N 1.60 2.52 -0.12 3.92 1.43 -1.21 -4.62 118.68 122.19 2nef s LEU 181 Ca 0.31 -0.29 -0.05 0.00 -1.03 0.00 0.00 54.13 53.07 2nef s LEU 181 Cb -0.06 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 2nef s LEU 181 CO -0.07 0.32 0.06 -1.83 0.23 0.00 0.00 176.35 175.06 2nef s GLU 182 N -0.60 3.41 -0.43 1.70 -1.05 -1.17 0.31 118.70 120.86 2nef s GLU 182 Ca 0.09 -0.30 -0.28 0.00 -0.15 0.00 0.00 54.97 54.32 2nef s GLU 182 Cb -0.11 -3.04 0.01 0.00 -0.44 0.00 0.00 34.13 30.55 2nef s GLU 182 CO 0.01 0.61 1.49 -1.58 0.95 0.00 0.00 175.26 176.73 2nef s TRP 183 N -0.58 2.26 -0.70 4.83 0.51 -0.92 -2.94 118.94 121.40 2nef s TRP 183 Ca 0.11 0.64 -0.17 0.00 -2.12 0.00 0.00 56.10 54.56 2nef s TRP 183 Cb -0.12 -4.29 0.15 0.00 -0.81 0.00 0.00 33.47 28.40 2nef s TRP 183 CO 0.02 -2.14 0.74 1.03 -0.51 0.00 0.00 176.95 176.09 2nef s ARG 184 N 5.21 3.27 0.31 4.98 1.81 -0.72 0.21 118.95 134.02 2nef s ARG 184 Ca 0.63 -1.79 -0.29 0.00 -1.72 0.00 0.00 55.73 52.56 2nef s ARG 184 Cb -0.14 -4.41 -0.10 0.00 -0.45 0.00 0.00 34.95 29.84 2nef s ARG 184 CO 0.31 -1.46 1.30 0.12 -0.68 0.00 0.00 175.30 174.89 2nef s PHE 185 N 1.75 3.10 -0.44 -0.53 2.19 -1.26 -2.84 117.98 119.95 2nef s PHE 185 Ca 0.15 1.39 0.08 0.00 0.33 0.00 0.00 56.93 58.87 2nef s PHE 185 Cb -0.19 -3.66 0.30 0.00 -1.31 0.00 0.00 43.02 38.16 2nef s PHE 185 CO -0.01 -1.84 0.90 -3.47 1.83 0.00 0.00 175.22 172.64 2nef n ASP 186 N 1.08 -1.50 0.25 6.13 2.03 -0.97 -4.97 116.55 118.60 2nef n ASP 186 Ca 0.01 -3.33 0.00 0.00 0.52 0.00 0.00 54.79 51.99 2nef n ASP 186 Cb 0.42 1.05 0.01 0.00 -0.72 0.00 0.00 41.12 41.88 2nef n ASP 186 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 2nef h SER 187 N 3.38 0.00 0.25 1.67 4.64 -1.93 0.78 113.55 122.34 2nef h SER 187 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 2nef h SER 187 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2nef h SER 187 CO 0.30 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.80 2nef n ARG 188 N -2.15 0.17 0.00 4.77 3.00 -1.26 -1.47 116.66 119.71 2nef n ARG 188 Ca -0.00 0.57 0.03 0.00 -0.01 0.00 0.00 57.85 58.44 2nef n ARG 188 Cb 0.88 -1.95 0.16 0.00 0.00 0.00 0.00 32.46 31.55 2nef n ARG 188 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.63 177.52 2nef n LEU 189 N -2.28 0.00 0.00 0.55 7.94 0.27 -1.99 117.00 121.49 2nef n LEU 189 Ca -0.00 0.02 0.10 0.00 -1.11 0.00 0.00 56.01 55.02 2nef n LEU 189 Cb 0.10 -0.02 0.51 0.00 0.53 0.00 0.00 43.42 44.54 2nef n LEU 189 CO 0.13 -0.02 0.81 0.00 -1.11 0.00 0.00 177.39 177.21 2nef n ALA 190 N -1.02 2.06 -1.12 1.96 0.00 -0.54 -3.43 120.51 118.42 2nef n ALA 190 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2nef n ALA 190 Cb 0.02 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.14 2nef n ALA 190 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 2nef n PHE 191 N -1.28 0.00 0.00 0.00 1.16 -0.84 -5.03 117.46 111.47 2nef n PHE 191 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.68 2nef n PHE 191 Cb 0.16 0.01 0.00 0.00 -1.61 0.00 0.00 39.48 38.04 2nef n PHE 191 CO 0.00 0.00 0.00 -2.39 -1.87 0.00 0.00 176.76 172.50 2nef n HIS 192 N 0.00 -0.10 -1.92 2.97 1.44 -1.22 -5.04 115.22 111.34 2nef n HIS 192 Ca 0.00 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.70 2nef n HIS 192 Cb 0.42 0.00 -0.00 0.00 0.12 0.00 0.00 29.99 30.53 2nef n HIS 192 CO 0.00 0.00 0.00 -2.39 -2.81 0.00 0.00 176.34 171.14 2nef n HIS 193 N -0.10 -0.16 -0.03 -1.40 1.44 -1.26 -5.03 115.22 108.68 2nef n HIS 193 Ca 0.00 -0.21 -0.00 0.00 -2.01 0.00 0.00 57.72 55.50 2nef n HIS 193 Cb 0.00 0.47 -0.00 0.00 0.12 0.00 0.00 29.99 30.58 2nef n HIS 193 CO 0.00 0.00 0.00 1.98 -2.81 0.00 0.00 176.34 175.51 2nef h MET 194 N 0.08 -0.01 -0.51 -1.40 4.05 -1.98 -2.87 114.93 112.29 2nef h MET 194 Ca -0.12 0.00 0.15 0.00 -0.28 0.00 0.00 59.70 59.45 2nef h MET 194 Cb 0.83 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.61 2nef h MET 194 CO -0.06 -0.01 0.63 0.00 0.23 0.00 0.00 176.91 177.71 2nef h ALA 195 N -1.34 2.23 0.24 0.39 0.00 -1.94 0.24 119.26 119.09 2nef h ALA 195 Ca -0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2nef h ALA 195 Cb 0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2nef h ALA 195 CO 0.00 -0.89 -0.11 -0.09 0.00 0.00 0.00 179.25 178.15 2nef h ARG 196 N 0.00 -0.31 0.00 0.00 9.65 -1.85 -2.27 114.38 119.60 2nef h ARG 196 Ca 0.24 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 59.07 2nef h ARG 196 Cb 1.50 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 30.14 2nef h ARG 196 CO -0.00 -0.04 -0.33 1.49 2.80 0.00 0.00 179.97 183.90 2nef h GLU 197 N -1.01 0.00 0.01 0.20 4.81 -0.97 -1.92 114.58 115.70 2nef h GLU 197 Ca -0.03 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.99 2nef h GLU 197 Cb 0.42 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 2nef h GLU 197 CO 0.05 0.33 -0.92 -0.07 -0.73 0.00 0.00 179.01 177.67 2nef h LEU 198 N 0.00 0.27 -5.65 1.64 4.07 -0.67 -3.41 115.31 111.57 2nef h LEU 198 Ca -0.00 -0.23 -0.39 0.00 0.08 0.00 0.00 57.88 57.34 2nef h LEU 198 Cb 0.70 -0.08 -0.28 0.00 1.08 0.00 0.00 40.66 42.08 2nef h LEU 198 CO 0.04 1.05 -0.78 1.41 -1.08 0.00 0.00 178.44 179.08 2nef n HIS 199 N -3.63 -2.07 0.04 1.13 8.25 -0.85 -4.96 115.22 113.12 2nef n HIS 199 Ca -0.04 -2.53 0.01 0.00 -0.26 0.00 0.00 57.72 54.90 2nef n HIS 199 Cb 0.83 0.71 -0.07 0.00 1.12 0.00 0.00 29.99 32.59 2nef n HIS 199 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2nef h PRO 200 N 4.78 0.00 0.00 -0.41 0.13 -1.55 -3.35 132.00 131.59 2nef h PRO 200 Ca 0.09 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.21 2nef h PRO 200 Cb 0.98 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.11 2nef h PRO 200 CO 0.29 0.28 -0.03 1.49 -0.23 0.00 0.00 178.00 179.80 2nef h GLU 201 N 0.00 0.00 -0.04 0.86 4.57 -1.93 -2.06 114.58 115.99 2nef h GLU 201 Ca -0.15 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 57.78 2nef h GLU 201 Cb 1.54 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 30.15 2nef h GLU 201 CO 0.04 0.03 -0.97 1.88 -1.18 0.00 0.00 179.01 178.81 2nef h TYR 202 N 0.00 1.02 -3.61 0.92 -1.99 -1.98 -3.41 116.97 107.91 2nef h TYR 202 Ca -0.00 -0.53 -0.63 0.00 2.00 0.00 0.00 58.73 59.57 2nef h TYR 202 Cb 0.13 -0.13 -0.14 0.00 2.00 0.00 0.00 36.73 38.60 2nef h TYR 202 CO 0.00 1.36 -0.05 -0.06 -0.00 0.00 0.00 178.16 179.42 2nef s PHE 203 N -3.42 3.23 -0.59 4.88 0.08 -0.77 -5.01 117.98 116.37 2nef s PHE 203 Ca -0.10 0.43 -0.28 0.00 0.12 0.00 0.00 56.93 57.11 2nef s PHE 203 Cb 0.07 -2.80 0.01 0.00 -0.57 0.00 0.00 43.02 39.74 2nef s PHE 203 CO 0.91 -0.39 1.43 0.21 -0.10 0.00 0.00 175.22 177.29 2nef s LYS 204 N 2.33 3.23 1.10 0.44 2.20 -1.26 -4.92 119.74 122.86 2nef s LYS 204 Ca 0.20 0.37 -0.17 0.00 -0.36 0.00 0.00 55.97 56.00 2nef s LYS 204 Cb -0.15 -4.15 0.15 0.00 -1.51 0.00 0.00 37.83 32.16 2nef s LYS 204 CO 0.11 -2.03 0.15 -1.71 -0.36 0.00 0.00 175.35 171.51 2nef n ASN 205 N 9.80 -2.78 0.00 1.43 5.15 -1.26 -5.20 115.26 122.40 2nef n ASN 205 Ca 0.12 -0.29 0.00 0.00 -0.60 0.00 0.00 54.58 53.81 2nef n ASN 205 Cb 0.49 -0.86 0.00 0.00 -0.53 0.00 0.00 39.78 38.88 2nef n ASN 205 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66